C45H56N7o9p Guanosine, 5 '-O- [4-Methoxyphenyl) Phenylmethyl] -2' -O-Methyl- N-
Hejmara Registry
150780-67-9
H303
Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
Giraniya molekul | 869.94 | - |
PKA (texmîn kirin) | 9.16 ± 0.20 | Temana herî acid: 25 ° C |
N # CCHOP (OC1C (OC (N2C = NC = 3C (= o) N = C (= O) C = C5) C6 = C5) C6 = C6) c = c6) n (c (c) c) c (c) c
Isomeric bişirîn
C (oc [c @@ h]) (Op (c (c) c) (c) c) (= o) n = c (c (c) c) = (c4 = cc = c (oc) C = c4) (c5 = cc = c (oc) c = c5) c6 = cc = cc = c6
Inchi
Inchi = 1s / c45h56n7o9p / c1-28 (2) 41 (53) 49-44 (42 (54) 50-44 (47-9) 38 (61-9) 38 (61-9-39 (59-25-13-24-
46) 52 (3) 4) 30 (5) 6) 36 (60-43) 26-58-45 (31-14-31,32-16-15-34 (55-34) 21-17-32) 33-18-32-35 (56-8) 23-19-33 / H10-12,14-23,27 -30,36,38-39,43h, 13,25-26h2,1-9h3, (H2,48,49,50,53,54) / T36-, 38-, 39-, 43-, 62? / M1 / S1
Keyeya Inchi
IrRDRHRzUoznwdj-mlldkzsosa-n
1 navê din ji bo vê madeyê
Guanosine, 5 '-O- [BIS (4-Methoxyphenyl) Phenylmethyl] -2 '-O-Tethyl-N- (2-methyl-1-oxopropyl) -, 3 '- [2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9ci)
Spectra peyda dibe
13 C NMR
Hetero nmr
Taybetmendiyên berdest
Bedirî
Şîmyakî
Lipinski
Struktura têkildar
Mal | Giranî | Rewş | Kanî |
Faktora BioconCentration | 183 | PH 1; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 3890 | PH 2; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 35500 | PH 3; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.08 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.36 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.39 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.38 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.24 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 63600 | PH 9; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 11900 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Mal | Giranî | Rewş | Kanî |
Koc | 220 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 4680 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 42600 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 1.30 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 1.63 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 1.67 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
Koc | 1.65 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
Koc | 1.49 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Mal | Giranî | Rewş | Kanî |
Koc | 76400 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 14200 | PH 10; Temp: 25 ° C | (1) ACD |
logd | 4.19 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 5.52 | PH 2; Temp: 25 ° C | (1) ACD |
logd | 6.48 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 6.96 | PH 4; Temp: 25 ° C | (1) ACD |
logd | 7.06 | PH 5; Temp: 25 ° C | (1) ACD |
logd | 7.07 | PH 6; Temp: 25 ° C | (1) ACD |
logd | 7.07 | PH 7; Temp: 25 ° C | (1) ACD |
logd | 7.02 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 6.73 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 6.00 | PH 10; Temp: 25 ° C | (1) ACD |
logp | 7.072 ± 0.721 | Temp: 25 ° C | (1) ACD |
Solubilityê dorpêçkirî ya girseyî | 1.2 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Solubility girseyî | 0.096 G / L | PH 1; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 4.3 x 10-3 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 4.8 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 1.6 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 1.2 x 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 1.2 x 10-4 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 1.2 x 10-4 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 1.4 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 2.7 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 1.4 x 10-3 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 1.2 x 10-4 g / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
Solubility ya hundurîn a molar | 1.4 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
Solubility molar | 1.1 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Solubility molar | 5.0 x 10-6 Mol / L | PH 2; Temp: 25 ° C | (1) ACD |
Solubility molar | 5.5 x 10-7 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Solubility molar | 1.8 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Solubility molar | 1.4 x 10-7 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Solubility molar | 1.4 x 10-7 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Mal | Giranî | Rewş | Kanî |
Solubility molar | 1.4 x 10-7 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Solubility molar | 1.6 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Solubility molar | 3.1 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Solubility molar | 1.6 x 10-6 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Solubility molar | 1.4 x 10-7 mol / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
Giraniya molekul | 869.94 | ||
pka | 9.16 ± 0.20 | Temana herî acid: 25 ° C | (1) ACD |
pka | 3.45 ± 0.70 | Temana herî bingehîn: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Mal | Giranî | Rewş | Kanî |
Bonds rotatable ya azad | 19 | (1) ACD | |
H qebûlkar | 16 | (1) ACD | |
H Donors | 2 | (1) ACD | |
H Donor / Qedexe | 18 | (1) ACD | |
logp | 7.072 ± 0.721 | Temp: 25 ° C | (1) ACD |
Giraniya molekul | 869.94 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Mal | Giranî | Çavkaniya şertê |
Qada pola polar | 194 A2 | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra peyda dibe
1 H NMR
13 C NMR
Navê dizî | Daxuyaniya Hazard | Kanî |
H303 | Dibe ku zirarê bibîne | Pispor curated |